structural formula
| business number | 03px |
|---|---|
| molecular formula | c9h11cl2n3o4s2 |
| molecular weight | 360.24 |
| label |
6-chloro-3-chloromethyl-3,4-dihydro-2-methyl-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, chloromethazide, heterocyclic compounds |
numbering system
cas number:135-07-9
mdl number:mfcd00242610
einecs number:205-172-2
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
acute toxicity data :
rat sutra mouth ld50: >4mg/kg
rat abdominal cavity ld50：2mg/kg
mouse sutra mouthld50：>10mg/kg
mouse abdominal cavity ld50：870mg/kg
mouse vein ld50：400mg/kg
mutation data ：
hamster fiber cells: 250mg/l
hamster lung: 140mg/l
ecological data
none
molecular structure data
molecular property data:
1、 molar refractive index：77.02
2、 molar volume（m3/mol): 223.2
3、 isotonic specific volume（90.2k）：608.4
4、 surface tension（3.0 dyne/cm span>):55.1
5、 polarizability（ 0.5 10-24cm3): 30.53
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 7
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 126
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 571
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
t”>surface tension( 3.0 dyne/cm):55.1
5、 polarizability（ 0.5 10-24cm3): 30.53
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 7
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 126
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 571
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
